SCHEMBL3375366

SCHEMBL3375366

CN1NN=C(c2cccc(N)c2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PSIP1 O75475 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ NPY5R Q15761 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20114489 0.83 NISCH (0.46) MEN1METAP2KMT2ATSHRNPY5R
SCHEMBL3376668 0.80 KEAP1 (0.40) MEN1METAP2LMNAGAAMAPT
SCHEMBL5308942 0.79 TDP1 (0.43) MEN1GAAMAPTKMT2ATSHR
SCHEMBL18680979 0.71 MAP4K4 (0.43) MAP4K4MAOAMEN1METAP2ENPP2
SCHEMBL13978012 0.70 MAP4K4 (0.53) MAP4K4MAOAMEN1METAP2ENPP2
SCHEMBL20119191 0.68 MAP4K4 (0.47) MAP4K4MAOAMEN1METAP2ENPP2
Ethane SCHEMBL28815160 0.68 MAOA (0.75) MAP4K4MAOAMEN1LMNAMAPT
SCHEMBL30500254 0.67 MAOA (0.83) MAP4K4MAOAMEN1LMNAMAPT
SCHEMBL29403794 0.67 MAOA (0.83) MAP4K4MAOAMEN1LMNAMAPT
SCHEMBL251095 0.67 MAOA (0.83) MAP4K4MAOAMEN1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 — — EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — US claimed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — WO claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 — — US claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 — — US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 — — EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 — — US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 MAP4K4 2305/4885MAOA 2848/4885MEN1 2579/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 MAP4K4 2305/4885MAOA 2848/4885MEN1 2579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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